Offres d’emploi

PhD position at IFP Energies nouvelles (IFPEN) – Chemical sciences

Theoretical Studies on the Adsorption of Phosphoric Acid on γ-Al2O3 at the Solid Liquid Interface

The ever growing increase in both, the demand of transportation fuels and the necessity to overcome environmental issues related to their combustion, has made catalysis a research topic of paramount importance in our society. Molybdenum sulfide based hydrotreating catalysts are one of the most efficient systems in the removal of unwanted nitrogen and sulfur in combustion fuels.

MoS2 active phases are mostly supported by γ-Al2O3 and contains other promoters such as phosphorous. However, although this element is known to enhance the catalyst properties, it also renders the catalyst preparation difficult, since there is an interplay between many complicated chemical reactions at the Solid-Liquid Interphase (SLI), not fully controlled by experimentalists..

In this PhD project we aim at the characterization and simulation of the γ-Al2Oimpregnation by P by means of state of the art Ab initio Molecular Dynamics simulations (AIMD). These simulations will allow a comprehensive analysis of the acid-base properties of the modified support at the SLI, hence giving us insights on the preparation of MoS2-P catalysts and on innovative ways to improve this process.

During her/his research, the applicant will use advanced AIMD techniques for the computation of thermodynamic properties at the SLI, use this thermodynamic data to compute the adsorption phenomena and speciation of the impregnation solutions, simulate the vibrational spectra of adsorbed species and the zeta-potential of relevant systems. Therefore, at the end of the PhD, the applicant will master some of the most advanced simulation techniques in this domain and will have a strong expertise that will allow the candidate to share results with peer experimental and theoretical researchers in the growing community of scientists working on SLI phenomena.

Keywords: Theoretical Chemistry, Molecular Dynamics, Heterogeneous Catalysis, Surface Chemistry, Solution Chemistry, Speciation.

Academic supervisor Dr. MICHEL, Carine, Laboratoire de Chimie, ENS-Lyon
Doctoral School ED206 Chimie, Procédés, Environnement / www.edchimie-lyon.fr
IFPEN supervisor Dr. CORRAL VALERO, Manuel, Dép. Génie des Matériaux Divisés manuel.corral-valero@ifpen.fr
PhD location IFPEN and ENS Lyon, France
Duration and start date 3 years, starting preferably on October 1, 2018
Academic requirements Master degree in Theoretical Chemistry, Physical Chemistry or Materials Sci.
Language requirements Fluency in French or English, willing to learn French
Other requirements Knowledge of computer and scripting languages are an important asset

For more information or to submit an application, see theses.ifpen.fr or contact the IFPEN supervisor.

 About IFP Energies nouvelles

IFP Energies nouvelles is a French public-sector research, innovation and training center. Its mission is to develop efficient, economical, clean and sustainable technologies in the fields of energy, transport and the environment. For more information, see www.ifpen.fr.

Poste ATER Université de Lorraine 

Un poste d’ATER est ouvert au concours à l’Université de Lorraine, la date limite pour le dépôt des candidatures étant le 26 avril 2018 (Section CNU : 85. Discipline : Bioinformatique. Profil enseignement : Informatique appliquée à la Santé.

Localisation : Faculté de Pharmacie de Nancy. Profil recherche : Chimie théorique).

Les activités pédagogiques se développeront dans le domaine de l’informatique appliquée à la santé, pour les étudiants qui préparent le diplôme d’Etat de Docteur en Pharmacie (2e-6e année), et porteront sur l’utilisation des outils numériques indispensables à la poursuite de leurs études et à leur insertion en tant que professionnels de santé. L’équipe pédagogique dans laquelle ces activités s’articuleront est reconnue pour le développement d’outils innovateurs qui utilisent l’informatique (voir par exemple le jeux sérieux OFF’SIM).

  Les activités de recherche se dérouleront au sein du Laboratoire de Physique et Chimie Théoriques, UMR 7019 Université de Lorraine-CNRS (Directeur : Pr. Xavier Assfeld), et s’inséreront dans les thématiques de l’Axe État Liquide, Interfaces, Solvatation (responsable : Dr. Francesca Ingrosso). En particulier, le projet de recherche se focalisera sur le développement de modèles théoriques pour promouvoir l’utilisation de macromolécules biocompatibles comme ‘solubilisateurs‘ dans un solvant CO2 en phase supercritique. L’optimisation de ces processus est une étape clé pour le design de procédés d’intérêt pharmaceutique dans un contexte de chimie durable. Mots clés : chimie théorique ; dynamique moléculaire ; chimie durable ; molécules d’intérêt pharmaceutique.
  Les candidats intéressés sont priés de bien vouloir prendre contact avec :
Dr. Alexandrine Lambert (alexandrine.lambert@univ-lorraine.fr)
Dr. Francesca Ingrosso (francesca.ingrosso@univ-lorraine.fr)

 

PhD in encapsulation of a photoactivable protein in SiO2 matrices – Sorbonne University, Paris, France

Our research group at is actively seeking a PhD candidate for a research project on encapsulation of a water-soluble photoactivable protein, Orange Carotenoid Protein, in silica nanoporous matrices, under the supervision of Dr Alberto Mezzetti. We care particularly interested in the role of the surrounding environment (notably the water-solvating molecules) on reaction mechanism. Whereas this is a fundamental research project, future applications in artificial photosynthesis, dye-doped fluorescent silica nanoparticles and stragesies of drug delivery can be foreseen.

The project is at the interface between molecular biophysics and material science, and it will be developed at the Surface Reactivity laboratory (”Laboratoire de Réactivité de Surface”, UMR 7197 Mixed unit with French CNRS) of Sorbonne University, Paris, located in the center of the town. The project will be developed in close collaboration with Dr Diana Kirilovsky, UMR 9198, University Paris-Saclay, France. The main used techniques will be time-resolved FTIR, Resonance Raman, UV-Vis, and DRX.

Salary is around 1400 euros net /month, which can be complemented (~150 euros/month) with some teaching to be delivered in French. Some funding for lodging (depending on the rent) is also provided by the French State. Starting date is October 1st, 2018. Candidature should arrive to alberto.mezzetti@upmc.fr no later than May 8th, 2018. After a first selection and an informal interview (e.g. by skype), the pre-selected candidate will have to undertake a formal interview by the board of teachers of the doctoral school in physical chemistry of materials at Sorbonne University in June 2018. Interviews normally take place in Paris, but some exceptions may be considered for candidates applying from outside western Europe or in special cases.

The ideal candidate is highly motivated physical chemist with strong interest in molecular biophysics, and some experience on interactions between protein or peptides and inorganic surfaces. Knowledge of vibrational spectroscopy and/or nanoporous materials is a plus. Good knowledge of English is required. Knowledge of French is not necessary but it is a plus. The name of two references (one of which should be the Master’s thesis supervisor) are required. Applicant should have obtained their M.Sc. before the summer 2018.

NB: Due to strict rules of the doctoral school, only candidates with a strong background in physics, chemistry or material science will be considered.

 

Dr Alberto Mezzetti, Senior Lecturer in Physical Chemistry, Sorbonne University – Paris, France